COMPND HMDB0015213 HETATM 1 C1 UNL 1 6.912 2.142 0.345 1.00 0.00 C HETATM 2 C2 UNL 1 5.741 1.780 1.231 1.00 0.00 C HETATM 3 O1 UNL 1 4.787 1.110 0.423 1.00 0.00 O HETATM 4 C3 UNL 1 3.636 0.681 1.038 1.00 0.00 C HETATM 5 O2 UNL 1 3.456 0.881 2.251 1.00 0.00 O HETATM 6 C4 UNL 1 2.610 -0.034 0.197 1.00 0.00 C HETATM 7 C5 UNL 1 3.294 -1.201 -0.366 1.00 0.00 C HETATM 8 C6 UNL 1 4.130 -1.940 0.486 1.00 0.00 C HETATM 9 C7 UNL 1 4.826 -3.051 0.059 1.00 0.00 C HETATM 10 C8 UNL 1 4.705 -3.460 -1.241 1.00 0.00 C HETATM 11 C9 UNL 1 3.891 -2.751 -2.093 1.00 0.00 C HETATM 12 C10 UNL 1 3.206 -1.646 -1.648 1.00 0.00 C HETATM 13 C11 UNL 1 2.125 0.968 -0.830 1.00 0.00 C HETATM 14 C12 UNL 1 1.147 1.859 -0.062 1.00 0.00 C HETATM 15 N1 UNL 1 -0.160 1.118 -0.122 1.00 0.00 N HETATM 16 C13 UNL 1 -1.142 1.929 0.509 1.00 0.00 C HETATM 17 C14 UNL 1 -2.578 1.762 0.272 1.00 0.00 C HETATM 18 C15 UNL 1 -3.298 0.506 0.596 1.00 0.00 C HETATM 19 C16 UNL 1 -3.116 0.252 2.048 1.00 0.00 C HETATM 20 N2 UNL 1 -2.967 0.048 3.181 1.00 0.00 N HETATM 21 C17 UNL 1 -2.943 -0.674 -0.200 1.00 0.00 C HETATM 22 C18 UNL 1 -2.970 -1.910 0.451 1.00 0.00 C HETATM 23 C19 UNL 1 -2.670 -3.070 -0.224 1.00 0.00 C HETATM 24 C20 UNL 1 -2.345 -2.990 -1.544 1.00 0.00 C HETATM 25 C21 UNL 1 -2.303 -1.804 -2.229 1.00 0.00 C HETATM 26 C22 UNL 1 -2.610 -0.661 -1.519 1.00 0.00 C HETATM 27 C23 UNL 1 -4.802 0.753 0.467 1.00 0.00 C HETATM 28 C24 UNL 1 -5.318 1.175 -0.728 1.00 0.00 C HETATM 29 C25 UNL 1 -6.691 1.422 -0.873 1.00 0.00 C HETATM 30 C26 UNL 1 -7.548 1.246 0.185 1.00 0.00 C HETATM 31 C27 UNL 1 -7.025 0.822 1.384 1.00 0.00 C HETATM 32 C28 UNL 1 -5.666 0.582 1.510 1.00 0.00 C HETATM 33 C29 UNL 1 0.086 -0.178 0.485 1.00 0.00 C HETATM 34 C30 UNL 1 1.461 -0.351 1.077 1.00 0.00 C HETATM 35 H1 UNL 1 6.812 3.186 -0.018 1.00 0.00 H HETATM 36 H2 UNL 1 6.963 1.489 -0.565 1.00 0.00 H HETATM 37 H3 UNL 1 7.892 1.989 0.859 1.00 0.00 H HETATM 38 H4 UNL 1 5.336 2.736 1.653 1.00 0.00 H HETATM 39 H5 UNL 1 6.096 1.174 2.084 1.00 0.00 H HETATM 40 H6 UNL 1 4.250 -1.646 1.524 1.00 0.00 H HETATM 41 H7 UNL 1 5.461 -3.590 0.758 1.00 0.00 H HETATM 42 H8 UNL 1 5.221 -4.324 -1.648 1.00 0.00 H HETATM 43 H9 UNL 1 3.789 -3.071 -3.138 1.00 0.00 H HETATM 44 H10 UNL 1 2.579 -1.114 -2.342 1.00 0.00 H HETATM 45 H11 UNL 1 1.562 0.485 -1.631 1.00 0.00 H HETATM 46 H12 UNL 1 2.966 1.554 -1.243 1.00 0.00 H HETATM 47 H13 UNL 1 1.503 1.956 0.954 1.00 0.00 H HETATM 48 H14 UNL 1 1.000 2.812 -0.599 1.00 0.00 H HETATM 49 H15 UNL 1 -0.900 3.001 0.155 1.00 0.00 H HETATM 50 H16 UNL 1 -0.911 2.030 1.627 1.00 0.00 H HETATM 51 H17 UNL 1 -3.174 2.608 0.784 1.00 0.00 H HETATM 52 H18 UNL 1 -2.750 2.049 -0.821 1.00 0.00 H HETATM 53 H19 UNL 1 -3.228 -1.946 1.498 1.00 0.00 H HETATM 54 H20 UNL 1 -2.685 -4.025 0.261 1.00 0.00 H HETATM 55 H21 UNL 1 -2.110 -3.903 -2.073 1.00 0.00 H HETATM 56 H22 UNL 1 -2.043 -1.823 -3.257 1.00 0.00 H HETATM 57 H23 UNL 1 -2.583 0.277 -2.045 1.00 0.00 H HETATM 58 H24 UNL 1 -4.702 1.328 -1.596 1.00 0.00 H HETATM 59 H25 UNL 1 -7.076 1.755 -1.832 1.00 0.00 H HETATM 60 H26 UNL 1 -8.632 1.441 0.076 1.00 0.00 H HETATM 61 H27 UNL 1 -7.675 0.680 2.220 1.00 0.00 H HETATM 62 H28 UNL 1 -5.260 0.242 2.474 1.00 0.00 H HETATM 63 H29 UNL 1 -0.602 -0.460 1.279 1.00 0.00 H HETATM 64 H30 UNL 1 -0.003 -0.944 -0.326 1.00 0.00 H HETATM 65 H31 UNL 1 1.528 -1.439 1.349 1.00 0.00 H HETATM 66 H32 UNL 1 1.517 0.173 2.076 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 13 34 CONECT 7 8 8 12 CONECT 8 9 40 CONECT 9 10 10 41 CONECT 10 11 42 CONECT 11 12 12 43 CONECT 12 44 CONECT 13 14 45 46 CONECT 14 15 47 48 CONECT 15 16 33 CONECT 16 17 49 50 CONECT 17 18 51 52 CONECT 18 19 21 27 CONECT 19 20 20 20 CONECT 21 22 22 26 CONECT 22 23 53 CONECT 23 24 24 54 CONECT 24 25 55 CONECT 25 26 26 56 CONECT 26 57 CONECT 27 28 28 32 CONECT 28 29 58 CONECT 29 30 30 59 CONECT 30 31 60 CONECT 31 32 32 61 CONECT 32 62 CONECT 33 34 63 64 CONECT 34 65 66 END